(5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol

C₁₃H₂₃NO — CID 155088653

About (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol

(5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol (PubChem CID 155088653) has the molecular formula C₁₃H₂₃NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol.

Molecular Properties

• Compound Name: (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol
• PubChem CID: 155088653
• Molecular Formula: C₁₃H₂₃NO
• Molecular Weight: 209.33 g/mol
• Exact Mass: 209.18
• IUPAC Name: (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol
• SMILES: C=C/C=C\C(=C/C)C(O)C(CC)NCC
• InChI: InChI=1S/C13H23NO/c1-5-9-10-11(6-2)13(15)12(7-3)14-8-4/h5-6,9-10,12-15H,1,7-8H2,2-4H3/b10-9-,11-6+
• InChIKey: BZGRRQWGJACYEC-AOXGIJKRSA-N
• XLogP: 2.42
• TPSA: 32.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.33
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol?

The IUPAC name of (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol (CID 155088653) is (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol.

What is the SMILES notation for (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol?

The canonical SMILES for (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol is C=C/C=C\C(=C/C)C(O)C(CC)NCC.

What is the InChIKey of (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol?

The InChIKey is BZGRRQWGJACYEC-AOXGIJKRSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-9-10-11(6-2)13(15)12(7-3)14-8-4/h5-6,9-10,12-15H,1,7-8H2,2-4H3/b10-9-,11-6+.

What are the key properties of (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol?

(5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5E,6Z)-3-(ethylamino)-5-ethylidenenona-6,8-dien-4-ol is sourced from PubChem (CID 155088653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155088653 — identifiers, structure, computed properties (public domain)

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